1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone

C14H22N2O4S — CID 94025472

IUPAC1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone
SMILESCc1cc(CS(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)on1
InChIInChI=1S/C14H22N2O4S/c1-10-7-13(20-15-10)8-21(18,19)9-14(17)16-11(2)5-4-6-12(16)3/h7,11-12H,4-6,8-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyFKAPGWBCDVZYGR-RYUDHWBXSA-N
MW314.41 g/mol
LogP1.69
Rot. Bonds4

About 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone (PubChem CID 94025472) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone
PubChem CID94025472
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone
SMILESCc1cc(CS(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)on1
InChIInChI=1S/C14H22N2O4S/c1-10-7-13(20-15-10)8-21(18,19)9-14(17)16-11(2)5-4-6-12(16)3/h7,11-12H,4-6,8-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyFKAPGWBCDVZYGR-RYUDHWBXSA-N
XLogP1.69
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone with MolForge

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Related Compounds

6-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfonylmethyl]pyridine-2-carboxamide
CID 97345846
(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-one
CID 94087835
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfonyl]ethanone
CID 95762005
1-[(2S)-2-acetylpyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 163976262
(5-cyclopropyl-1,2-oxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 22427513
(2,6-dimethylpiperidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 3158164
3-methyl-5-(2-phenylethylsulfonylmethyl)-1,2-oxazole
CID 71941898
3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 94021516
(2S)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]-1-morpholin-4-ylpropan-1-one
CID 94172378
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127883238
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
CID 103715004

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone (CID 94025472) is 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone is Cc1cc(CS(=O)(=O)CC(=O)N2[C@@H](C)CCC[C@@H]2C)on1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone?
The InChIKey is FKAPGWBCDVZYGR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-7-13(20-15-10)8-21(18,19)9-14(17)16-11(2)5-4-6-12(16)3/h7,11-12H,4-6,8-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone?
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone has a molecular weight of 314.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]ethanone is sourced from PubChem (CID 94025472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).